[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride

C22H31ClN2O2 — CID 69166582

IUPAC[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
SMILESCNC1CCC(NCc2cc(-c3ccc(CO)cc3)ccc2OC)CC1.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-23-20-8-10-21(11-9-20)24-14-19-13-18(7-12-22(19)26-2)17-5-3-16(15-25)4-6-17;/h3-7,12-13,20-21,23-25H,8-11,14-15H2,1-2H3;1H
InChIKeyNNBMQAXXIHOEDT-UHFFFAOYSA-N
MW390.96 g/mol
LogP3.90
Rot. Bonds7

About [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride

[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride (PubChem CID 69166582) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
PubChem CID69166582
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
SMILESCNC1CCC(NCc2cc(-c3ccc(CO)cc3)ccc2OC)CC1.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-23-20-8-10-21(11-9-20)24-14-19-13-18(7-12-22(19)26-2)17-5-3-16(15-25)4-6-17;/h3-7,12-13,20-21,23-25H,8-11,14-15H2,1-2H3;1H
InChIKeyNNBMQAXXIHOEDT-UHFFFAOYSA-N
XLogP3.90
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride with MolForge

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Related Compounds

N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
1-[3-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone;hydrochloride
CID 69166885
4-N-[[5-(6-fluoro-3-pyridinyl)-2-methoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165178
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 87719605
4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165157
4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride
CID 69165248
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
4-N-[[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 69166234
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 79602381
4-N-[[5-(2-aminopyrimidin-5-yl)-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165749
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]methylamino]cyclohexyl]methylcarbamic acid
CID 69189143

Frequently Asked Questions

What is the IUPAC name of [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride?
The IUPAC name of [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride (CID 69166582) is [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride is CNC1CCC(NCc2cc(-c3ccc(CO)cc3)ccc2OC)CC1.Cl.
What is the InChIKey of [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride?
The InChIKey is NNBMQAXXIHOEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.ClH/c1-23-20-8-10-21(11-9-20)24-14-19-13-18(7-12-22(19)26-2)17-5-3-16(15-25)4-6-17;/h3-7,12-13,20-21,23-25H,8-11,14-15H2,1-2H3;1H.
What are the key properties of [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride?
[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 69166582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).